N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide

C18H20ClN3O2 — CID 2796639

IUPACN-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide
SMILESCN(C)c1ccc(C=NNC(=O)CCc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-22(2)15-7-6-14(17(19)11-15)12-20-21-18(24)10-5-13-3-8-16(23)9-4-13/h3-4,6-9,11-12,23H,5,10H2,1-2H3,(H,21,24)
InChIKeySEZMEMNEWMAQAB-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.19
Rot. Bonds6

About N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide

N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide (PubChem CID 2796639) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide
PubChem CID2796639
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide
SMILESCN(C)c1ccc(C=NNC(=O)CCc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-22(2)15-7-6-14(17(19)11-15)12-20-21-18(24)10-5-13-3-8-16(23)9-4-13/h3-4,6-9,11-12,23H,5,10H2,1-2H3,(H,21,24)
InChIKeySEZMEMNEWMAQAB-UHFFFAOYSA-N
XLogP3.19
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea
CID 168533720
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245734
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 126034906
N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 54603167
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 24555276
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline
CID 168531233
N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789440

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide (CID 2796639) is N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide is CN(C)c1ccc(C=NNC(=O)CCc2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is SEZMEMNEWMAQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-22(2)15-7-6-14(17(19)11-15)12-20-21-18(24)10-5-13-3-8-16(23)9-4-13/h3-4,6-9,11-12,23H,5,10H2,1-2H3,(H,21,24).
What are the key properties of N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide?
N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 2796639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).